3-methyl-N'-octanoylbenzohydrazide

C16H24N2O2 — CID 2218282

IUPAC3-methyl-N'-octanoylbenzohydrazide
SMILESCCCCCCCC(=O)NNC(=O)c1cccc(C)c1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-6-7-11-15(19)17-18-16(20)14-10-8-9-13(2)12-14/h8-10,12H,3-7,11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyKWFLAKIJDPXVHC-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.12
Rot. Bonds7

About 3-methyl-N'-octanoylbenzohydrazide

3-methyl-N'-octanoylbenzohydrazide (PubChem CID 2218282) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-methyl-N'-octanoylbenzohydrazide.

Molecular Properties

Compound Name3-methyl-N'-octanoylbenzohydrazide
PubChem CID2218282
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-methyl-N'-octanoylbenzohydrazide
SMILESCCCCCCCC(=O)NNC(=O)c1cccc(C)c1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-6-7-11-15(19)17-18-16(20)14-10-8-9-13(2)12-14/h8-10,12H,3-7,11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyKWFLAKIJDPXVHC-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide
CID 3092349
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
4-methyl-N'-octanoylbenzohydrazide
CID 4958769
3-nitro-N'-tetradecanoylbenzohydrazide
CID 54791907
ethyl 4-[2-(3-methylbenzoyl)hydrazinyl]-4-oxobutanoate
CID 5119710
N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide
CID 4950738
N'-decanoylpyridine-3-carbohydrazide
CID 132992060
3-methoxy-N'-pentanoylbenzohydrazide
CID 3117671
N'-dodecanoylpyridine-3-carbohydrazide
CID 171977470
3-(azidomethyl)-N'-hexanoylbenzohydrazide
CID 150083368

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-octanoylbenzohydrazide?
The IUPAC name of 3-methyl-N'-octanoylbenzohydrazide (CID 2218282) is 3-methyl-N'-octanoylbenzohydrazide.
What is the SMILES notation for 3-methyl-N'-octanoylbenzohydrazide?
The canonical SMILES for 3-methyl-N'-octanoylbenzohydrazide is CCCCCCCC(=O)NNC(=O)c1cccc(C)c1.
What is the InChIKey of 3-methyl-N'-octanoylbenzohydrazide?
The InChIKey is KWFLAKIJDPXVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-4-5-6-7-11-15(19)17-18-16(20)14-10-8-9-13(2)12-14/h8-10,12H,3-7,11H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-methyl-N'-octanoylbenzohydrazide?
3-methyl-N'-octanoylbenzohydrazide has a molecular weight of 276.38 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-octanoylbenzohydrazide is sourced from PubChem (CID 2218282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).